Mathematical Modeling and Simulation of Catalytic Processes for Sustainable Energy Conversion and Environmental Applications
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".
Deadline for manuscript submissions: closed (10 October 2021) | Viewed by 6736
Special Issue Editors
Interests: analysis, simulation and dynamics of reactive systems
Interests: mathematical modeling of chemical reactors; multifunctional chemical reactors; mass transport in porous media; renewable fuels; model reduction techniques; catalysis
Special Issue Information
Dear Colleagues,
In recent decades, we have witnessed a blossoming of research focused on process intensification, aimed at increasing the efficiency of traditional processes or at developing new, cleaner ways of energy conversion processes. Catalytic processes play a key role in this development. Process design now includes macro- and microstructuring of heterogeneous reactors in terms of active site distribution, flow arrangement, temperature control, in a framework of optimization. The general goal is using catalysis for clean energy conversion processes, and more generally for environment-friendly processes.
While there exists huge knowledge and experience on the kinetics of catalytic reactions, other process variables, such as catalyst distribution and multiphase fluid mechanics, coupled with heat and mass transfer at particle level, have been studied to a limited extent. Additionally, relatively new fields such as biocatalysis and photocatalysis applied to fuel production or contaminant degradation count many contributions today.
Given the great number of state variables and process design variables, mathematical modeling and simulations are often the only way to lead comprehensive studies to optimize the process.
In this view, it is a great pleasure for us to announce a call for contributions to a Special Issue entitled “Mathematical Modeling and Simulation of Catalytic Processes for Sustainable Energy Conversion and Environmental Applications”. This Special Issue will welcome contributions centered on detailed modeling, down to CFD detail, as well as block modeling and real-time process simulation and optimization. Moreover, experimental data in support of the simulation outcome would be most welcome.
Potential topics include but are not limited to mathematical modeling and simulation of:
- Chemical reactors for synthesis of renewable fuels;
- Chemical reactors for gas-to-power applications;
- Water purification systems;
- Systems for pollutant removal;
- Fuel cells.
Prof. Dr. Gaetano Continillo
Prof. Dr. Katarzyna Bizon
Guest Editors
Manuscript Submission Information
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Keywords
- Multiphase catalytic reactors
- Homogeneous catalytic reactors
- Photocatalysis
- Biocatalysis
- Mathematical modeling
- Numerical simulation
- Sustainable energy conversion
- Process intensification
- Yield optimization
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